2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride

C18H21Cl4N3O2 — CID 120601228

IUPAC2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CCN1.Cl.Cl
InChIInChI=1S/C18H19Cl2N3O2.2ClH/c1-11-9-13(6-8-21-11)23-17(24)14-3-2-7-22-18(14)25-16-5-4-12(19)10-15(16)20;;/h2-5,7,10-11,13,21H,6,8-9H2,1H3,(H,23,24);2*1H
InChIKeyCMKHDMUBHOKXOF-UHFFFAOYSA-N
MW453.20 g/mol
LogP4.89
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride

2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 120601228) has the molecular formula C18H21Cl4N3O2 and a molecular weight of 453.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride
PubChem CID120601228
Molecular FormulaC18H21Cl4N3O2
Molecular Weight453.20 g/mol
Exact Mass451.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CCN1.Cl.Cl
InChIInChI=1S/C18H19Cl2N3O2.2ClH/c1-11-9-13(6-8-21-11)23-17(24)14-3-2-7-22-18(14)25-16-5-4-12(19)10-15(16)20;;/h2-5,7,10-11,13,21H,6,8-9H2,1H3,(H,23,24);2*1H
InChIKeyCMKHDMUBHOKXOF-UHFFFAOYSA-N
XLogP4.89
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.20
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride (CID 120601228) is 2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride is CC1CC(NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CCN1.Cl.Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is CMKHDMUBHOKXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2.2ClH/c1-11-9-13(6-8-21-11)23-17(24)14-3-2-7-22-18(14)25-16-5-4-12(19)10-15(16)20;;/h2-5,7,10-11,13,21H,6,8-9H2,1H3,(H,23,24);2*1H.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride?
2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 453.20 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120601228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).